3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one

C12H13FN2O — CID 118005404

IUPAC3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2c(C)c(F)c(C)nc2[nH]c1=O
InChIInChI=1S/C12H13FN2O/c1-4-8-5-9-6(2)10(13)7(3)14-11(9)15-12(8)16/h5H,4H2,1-3H3,(H,14,15,16)
InChIKeyXYTYUQYHGROQNP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.24
Rot. Bonds1

About 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one

3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one (PubChem CID 118005404) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one
PubChem CID118005404
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2c(C)c(F)c(C)nc2[nH]c1=O
InChIInChI=1S/C12H13FN2O/c1-4-8-5-9-6(2)10(13)7(3)14-11(9)15-12(8)16/h5H,4H2,1-3H3,(H,14,15,16)
InChIKeyXYTYUQYHGROQNP-UHFFFAOYSA-N
XLogP2.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
N-(4,6-dimethylpyridin-2-yl)-3-fluorobenzamide
CID 2837038
N-(6-methyl-2-pyridinyl)benzamide
CID 293096
7-Amino-4-methyl-1,8-naphthyridin-2-ol
CID 5354050
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
7-Methyl-1,8-naphthyridin-2-ol
CID 5373675
N-(4,6-dimethylpyridin-2-yl)-2-fluorobenzamide
CID 790337
3,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 24246632
2,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 574934
4-fluoro-N-(6-methylpyridin-2-yl)benzamide
CID 790348
1-[2-(Dimethylamino)ethyl]-5,6,7-trimethyl-1,8-naphthyridin-2-one
CID 22753554

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one (CID 118005404) is 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one is CCc1cc2c(C)c(F)c(C)nc2[nH]c1=O.
What is the InChIKey of 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one?
The InChIKey is XYTYUQYHGROQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-4-8-5-9-6(2)10(13)7(3)14-11(9)15-12(8)16/h5H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one?
3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118005404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).